Geometry & MOs

Info

ID:	416013
PubChem CID:	135089018
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	1.97
Dipole, Da:	5.61
IP(EA), eV:	-8.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2CCN(C2)CC3=CC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations